4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C26H27N5O2 — CID 110093921

About 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 110093921) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 110093921
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
• SMILES: Cc1cccnc1Nc1cccc(C2CCN(C(=O)C3CC(=O)Nc4ccccc43)CC2)n1
• InChI: InChI=1S/C26H27N5O2/c1-17-6-5-13-27-25(17)30-23-10-4-9-21(28-23)18-11-14-31(15-12-18)26(33)20-16-24(32)29-22-8-3-2-7-19(20)22/h2-10,13,18,20H,11-12,14-16H2,1H3,(H,29,32)(H,27,28,30)
• InChIKey: ROEHSFUAESRKJC-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 110093921) is 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cccnc1Nc1cccc(C2CCN(C(=O)C3CC(=O)Nc4ccccc43)CC2)n1.

What is the InChIKey of 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is ROEHSFUAESRKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-17-6-5-13-27-25(17)30-23-10-4-9-21(28-23)18-11-14-31(15-12-18)26(33)20-16-24(32)29-22-8-3-2-7-19(20)22/h2-10,13,18,20H,11-12,14-16H2,1H3,(H,29,32)(H,27,28,30).

What are the key properties of 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?

4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 441.54 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 110093921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).